5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide

C20H16ClN3O3 — CID 109234686

IUPAC5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H16ClN3O3/c21-16-3-1-2-4-17(16)24-20(25)14-8-15(11-22-10-14)23-9-13-5-6-18-19(7-13)27-12-26-18/h1-8,10-11,23H,9,12H2,(H,24,25)
InChIKeyVEYAIHABYPWBNU-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.33
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide

5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 109234686) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
PubChem CID109234686
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H16ClN3O3/c21-16-3-1-2-4-17(16)24-20(25)14-8-15(11-22-10-14)23-9-13-5-6-18-19(7-13)27-12-26-18/h1-8,10-11,23H,9,12H2,(H,24,25)
InChIKeyVEYAIHABYPWBNU-UHFFFAOYSA-N
XLogP4.33
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
5-(1,3-benzodioxol-5-ylmethylamino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109234698
5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109234149
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
5-(1,3-benzodioxol-5-ylamino)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109234631
4-[5-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230730
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
[5-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109234647
2-(1,3-benzodioxol-5-ylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109268628
5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109233966

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide (CID 109234686) is 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cncc(NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is VEYAIHABYPWBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-16-3-1-2-4-17(16)24-20(25)14-8-15(11-22-10-14)23-9-13-5-6-18-19(7-13)27-12-26-18/h1-8,10-11,23H,9,12H2,(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).